2276-90-6
中文名称
碘他拉酸
英文名称
Iotalamic acid
CAS
2276-90-6
EINECS 编号
218-897-4
分子式
C11H9I3N2O4
分子量
613.91
MOL 文件
2276-90-6.mol
更新日期
2024/03/22 17:31:03
2276-90-6 结构式
基本信息
中文别名
碘他拉酸3-乙酰氨基-2,4,6-三碘-5-(甲基氨基甲酰)苯甲酸
英文别名
3-(acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]-benzoicaciiothalamicacid
IOTHALAMIC ACID (200 MG)
5-acetamido-2,4,6-triiodo-N-methylisophthalamic acid
iotalamic acid
Iothalamic
Benzoic acid, 3-(acetylamino)-2,4,6-triiodo- 5-[(methylamino)carbonyl]-
3-Acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid
3-(Acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzenecarboxylic acid
3-(Acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid
3-Acetylamino-5-methylcarbamoyl-2,4,6-triiodobenzoic acid
Metalamic acid
MI-216
所属类别
原料药：影象检查用药物理化学性质
熔点>300 °C (decomp)
沸点520.2±50.0 °C(Predicted)
密度2.4079 (estimate)
储存条件Refrigerator
溶解度DMSO（微溶，加热）、甲醇（微溶）
酸度系数(pKa)0.78±0.10(Predicted)
形态固体
颜色灰白色至淡黄色
Henry's Law Constant4.4×1012 mol/(m3Pa) at 25℃, Zhang et al. (2010)
主要应用pharmaceutical (small molecule)
InChI1S/C11H9I3N2O4.Na/c1-3(17)16-9-7(13)4(10(18)15-2)6(12)5(8(9)14)11(19)20;/h1-2H3,(H,15,18)(H,16,17)(H,19,20);/q;+1/p-1
InChIKeyWCIMWHNSWLLELS-UHFFFAOYSA-M
SMILES[Na+].Ic1c(c(c(c(c1C(=O)NC)I)C(=O)[O-])I)NC(=O)C
安全数据
警示词警告
危险性描述H302-H312-H332
WGK GermanyWGK 3
REACH 注册登记Active
海关编码2924296000
存储类别11 - Combustible Solids
毒性man,TDLo,unreported,2143uL/kg (2.143mL/kg),SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYELUNGS, THORAX, OR RESPIRATION: DYSPNEA,AJR, American Journal of Roentgenology. Vol. 162, Pg. 997, 1994.